3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)purine-2,6-dione Openeye Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)purine-2,6-dione CAS Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)purine-2,6-dione IUPAC Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)purine-2,6-dione Traditional Name: 3-butyl-7-(3,4-dimethoxyphenyl)sulfonyl-1-(3-methylbut-2-enyl)xanthine Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC=C(C)C)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC=C(C)C)N(C=N2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N4O6S/c1-6-7-11-24-20-19(21(27)25(22(24)28)12-10-15(2)3)26(14-23-20)33(29,30)16-8-9-17(31-4)18(13-16)32-5/h8-10,13-14H,6-7,11-12H2,1-5H3